3NI9

GES-2 carbapenemase apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	76.460, 80.540, 87.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.690 - 2.000
R-factor	0.2215
Rwork	0.218
R-free	0.27910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qpn
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.700	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.089	0.518
Number of reflections	36138
<I/σ(I)>	12.1	2.72
Completeness [%]	94.7	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	277	0.02 M citric acid, 0.08 M Bis-Tris propane, pH 8.8, 16% (w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K